1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine

C15H18F3N3O2 — CID 19625865

IUPAC1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2ccc(OCC(F)(F)F)c(OC)c2)cn1
InChIInChI=1S/C15H18F3N3O2/c1-3-21-9-12(8-20-21)19-7-11-4-5-13(14(6-11)22-2)23-10-15(16,17)18/h4-6,8-9,19H,3,7,10H2,1-2H3
InChIKeyHSOOMADTFYYUGW-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.46
Rot. Bonds7

About 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine

1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine (PubChem CID 19625865) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
PubChem CID19625865
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2ccc(OCC(F)(F)F)c(OC)c2)cn1
InChIInChI=1S/C15H18F3N3O2/c1-3-21-9-12(8-20-21)19-7-11-4-5-13(14(6-11)22-2)23-10-15(16,17)18/h4-6,8-9,19H,3,7,10H2,1-2H3
InChIKeyHSOOMADTFYYUGW-UHFFFAOYSA-N
XLogP3.46
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872
5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine
CID 133318043
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 43776973
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
4-bromo-5-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]-2-methylpyridazin-3-one
CID 133303550
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine (CID 19625865) is 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine is CCn1cc(NCc2ccc(OCC(F)(F)F)c(OC)c2)cn1.
What is the InChIKey of 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine?
The InChIKey is HSOOMADTFYYUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-3-21-9-12(8-20-21)19-7-11-4-5-13(14(6-11)22-2)23-10-15(16,17)18/h4-6,8-9,19H,3,7,10H2,1-2H3.
What are the key properties of 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine?
1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine has a molecular weight of 329.32 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 19625865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).